REMARK  Name = BDB027733
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.516   0.608  -0.215  0.00  0.00    +0.166 A 
ATOM      2  N   LIG    1       -1.647   1.938  -0.345  0.00  0.00    -0.226 NA
ATOM      3  C   LIG    1       -0.535   2.672  -0.235  0.00  0.00    +0.095 A 
ATOM      4  C   LIG    1        0.722   2.116   0.003  0.00  0.00    +0.043 A 
ATOM      5  C   LIG    1        1.850   2.970   0.073  0.00  0.00    +0.033 A 
ATOM      6  C   LIG    1        1.677   4.334  -0.075  0.00  0.00    +0.111 A 
ATOM      7  N   LIG    1        0.477   4.900  -0.285  0.00  0.00    -0.261 NA
ATOM      8  C   LIG    1        0.750   0.710   0.137  0.00  0.00    +0.131 A 
ATOM      9  C   LIG    1       -0.582   4.052  -0.363  0.00  0.00    +0.139 A 
ATOM     10  N   LIG    1       -0.365  -0.036   0.028  0.00  0.00    -0.212 NA
ENDROOT
BRANCH   1  13
ATOM     11  C   LIG    1       -2.161  -2.564   0.560  0.00  0.00    +0.068 C 
ATOM     12  C   LIG    1       -3.036  -1.531  -0.045  0.00  0.00    +0.070 A 
ATOM     13  C   LIG    1       -2.730  -0.177  -0.359  0.00  0.00    +0.059 A 
ATOM     14  C   LIG    1       -3.915   0.319  -0.870  0.00  0.00    +0.116 A 
ATOM     15  N   LIG    1       -4.809  -0.706  -0.847  0.00  0.00    -0.284 N 
ATOM     16  H   LIG    1       -5.777  -0.702  -1.151  0.00  0.00    +0.188 HD
ATOM     17  N   LIG    1       -4.305  -1.842  -0.349  0.00  0.00    -0.178 NA
ENDBRANCH   1  13
BRANCH   8  18
ATOM     18  N   LIG    1        2.016   0.107   0.395  0.00  0.00    -0.323 N 
ATOM     19  H   LIG    1        2.396   0.533   1.238  0.00  0.00    +0.148 HD
BRANCH  18  20
ATOM     20  C   LIG    1        2.373  -1.323   0.247  0.00  0.00    +0.031 C 
ATOM     21  C   LIG    1        1.572  -2.297  -0.578  0.00  0.00    +0.027 C 
ATOM     22  C   LIG    1        1.551  -2.389   0.924  0.00  0.00    +0.027 C 
ATOM     23  C   LIG    1        3.873  -1.533   0.236  0.00  0.00    +0.031 C 
ENDBRANCH  18  20
ENDBRANCH   8  18
TORSDOF 3